SCHEMBL8607381

SCHEMBL8607381

O=C(O)CCc1cn2cc(C(=O)O)nc2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
P4HTM Q9NXG6 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGLN1 Q9GZT9 7/20 0.32
FFAR1 O14842 1/20 0.32
GPR17 Q13304 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8606509 0.92 PTGS1 (0.38) PTGS1PTGS2RXFP1L3MBTL1KDM4E
SCHEMBL8610121 0.82 PTGS1 (0.37) PTGS1PTGS2RXFP1KDM4EPOLB
SCHEMBL8609917 0.80 L3MBTL1 (0.35) NPSR1L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL8608478 0.79 RXFP1 (0.37) PTGS1PTGS2RXFP1KDM4EPOLB
SCHEMBL8608846 0.78 PTGS1 (0.38) PTGS1PTGS2RXFP1KDM4EPOLB
SCHEMBL8608439 0.78 PTGS1 (0.34) PTGS1PTGS2RXFP1
SCHEMBL8608010 0.76 RXFP1 (0.33) PTGS1PTGS2RXFP1
SCHEMBL8608923 0.76 RXFP1 (0.39) PTGS1PTGS2RXFP1KDM4EPOLB
SCHEMBL8606435 0.74 GFER (0.31)
SCHEMBL23535308 0.73 PTGS1 (0.46) PTGS1PTGS2RXFP1L3MBTL1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed